0 mol 19 unq 0 iso 0 dist 7.84393 9.01721 7.82074 4.93362 6.36455 5.18512 10.7145 6.01808 6.41575 6.39966 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 9.89331 5.11617 8.4051 4.90592 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.35095 5.76725 5.54419 6.80952 4.93188 4.33963 14.084 10.8238 8.75662 8.16324 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 14.0475 13.2229 8.4051 4.90592 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 5.87895 5.75653 7.36323 9.6739 9.24958 4.33963 11.0714 6.7828 8.75662 8.16324 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 6.30194 10.5627 6.19304 14.8714 8.73253 8.26458 10.9561 6.56633 9.24757 6.48232 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 5.79954 14.1415 9.38498 5.67493 7.04044 15.7304 6.66506 5.11416 13.8696 6.48232 numMergedOcc 0
7 mol 73 unq 2 iso 0 dist 5.79954 12.8388 9.96396 5.67493 7.04044 8.26458 6.66506 5.11416 9.24757 6.48232 numMergedOcc 0
8 mol 73 unq 3 iso 0 dist 5.79954 9.65653 9.75218 5.67493 7.04044 8.35241 6.66506 5.11416 13.0145 6.48232 numMergedOcc 0
9 mol 73 unq 4 iso 0 dist 7.01889 7.9573 9.38498 11.2215 7.04044 15.7304 11.8962 5.11416 13.8696 6.48232 numMergedOcc 0
10 mol 73 unq 5 iso 0 dist 7.01889 15.0744 9.96396 11.2215 7.04044 8.26458 11.8962 5.11416 9.24757 6.48232 numMergedOcc 0
11 mol 73 unq 6 iso 0 dist 7.01889 8.11922 9.75218 11.2215 7.04044 8.35241 11.8962 5.11416 13.0145 6.48232 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 5.81552 10.626 9.60462 7.79791 8.729 11.0629 10.67 5.39346 10.1861 9.77017 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 5.81552 5.27363 7.45389 7.79791 8.729 5.48848 10.67 5.39346 10.15 9.77017 numMergedOcc 0
14 mol 115 unq 0 iso 0 dist 9.56867 9.97256 6.11741 4.64486 5.74857 6.08806 11.856 5.22052 11.0224 8.85881 numMergedOcc 0
15 mol 115 unq 1 iso 0 dist 9.56867 7.64822 7.88312 4.64486 5.74857 7.21418 11.856 5.22052 12.13 8.85881 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.07833 9.54619 9.09537 4.97043 7.20392 5.93488 10.7347 12.9468 9.72611 7.11785 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.7292 13.4646 7.10633 12.0796 6.85441 8.17229 8.82861 5.86489 11.5776 5.91727 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 7.7292 9.54287 8.51516 12.0796 6.85441 5.74707 8.82861 5.86489 7.32294 5.91727 numMergedOcc 0
19 mol 220 unq 0 iso 0 dist 8.9077 10.6943 9.23153 5.41948 5.45036 6.17628 7.46122 7.11498 6.59716 5.37796 numMergedOcc 0
20 mol 220 unq 1 iso 0 dist 8.9077 15.396 8.24498 5.41948 5.45036 10.4136 7.46122 7.11498 13.1498 5.37796 numMergedOcc 0
21 mol 230 unq 0 iso 0 dist 8.33847 7.37154 6.7547 5.02022 6.41286 6.20661 12.4339 6.33877 10.9672 8.34416 numMergedOcc 0
22 mol 230 unq 1 iso 0 dist 8.33847 7.37154 6.7547 5.02022 6.41286 6.20661 8.85051 5.0515 10.3657 6.34832 numMergedOcc 0
23 mol 230 unq 2 iso 0 dist 9.12305 9.0274 6.7547 9.81615 6.41286 6.20661 15.0081 6.33877 10.9672 8.34416 numMergedOcc 0
24 mol 230 unq 3 iso 0 dist 9.12305 9.0274 6.7547 9.81615 6.41286 6.20661 11.3302 5.0515 10.3657 6.34832 numMergedOcc 0
25 mol 232 unq 0 iso 0 dist 7.47238 10.134 8.27212 6.4535 7.83711 8.25884 9.78197 4.9377 9.40808 6.57921 numMergedOcc 0
26 mol 253 unq 0 iso 0 dist 8.53729 16.1265 9.02271 4.60689 7.77998 13.6942 9.29788 5.78064 13.07 8.15091 numMergedOcc 0
27 mol 253 unq 1 iso 0 dist 8.07341 16.581 9.02271 9.18036 7.77998 13.6942 9.50983 5.78064 13.07 8.15091 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 7.9357 8.73372 6.42289 11.517 7.99477 7.42673 19.4101 13.2927 15.8417 9.91199 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 8.81059 9.78068 6.42289 15.4617 7.99477 7.42673 22.0846 13.2927 15.8417 9.91199 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 8.50313 13.3163 8.45658 11.2562 8.60026 6.04016 18.414 12.8544 10.7876 8.61563 numMergedOcc 0
31 mol 261 unq 1 iso 0 dist 7.6414 13.6041 8.45658 13.4429 8.60026 6.04016 19.8766 12.8544 10.7876 8.61563 numMergedOcc 0
